Crystallography Open Database

Information card for entry 1554097

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Coordinates	1554097.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H27 Br N2 O4
Calculated formula	C28 H27 Br N2 O4
Title of publication	Racemates Have Much Higher Solid-State Fluorescence Efficiency than Their Levo- and Dextrorotary Enantiomers
Authors of publication	Zhu, Qiuhua; Dai, Chenshu; Huang, Cuihong; Zheng, Sichao; Tian, Yuanxin
Journal of publication	The Journal of Physical Chemistry C
Year of publication	2017
Journal volume	121
Journal issue	45
Pages of publication	25503
a	11.4 ± 0.03 Å
b	19.6 ± 0.05 Å
c	11.58 ± 0.03 Å
α	90°
β	91.95 ± 0.05°
γ	90°
Cell volume	2586 ± 12 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1595
Residual factor for significantly intense reflections	0.0858
Weighted residual factors for significantly intense reflections	0.2166
Weighted residual factors for all reflections included in the refinement	0.2591
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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